SCHEMBL972957

SCHEMBL972957

COc1ncc2n[c]sc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 19/20 0.38
ALDH1A1 P00352 15/20 0.35
CYP3A4 P08684 10/20 0.35
HSD17B10 Q99714 7/20 0.35
CYP2C19 P33261 5/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPK1 P28482 2/20 0.33
USP2 O75604 7/20 0.33
TSHR P16473 5/20 0.33
CYP2C9 P11712 4/20 0.33
CLK4 Q9HAZ1 3/20 0.33
CYP2D6 P10635 2/20 0.33
GLA P06280 2/20 0.33
CASP1 P29466 3/20 0.32
CASP7 P55210 3/20 0.32
HIF1A Q16665 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2442747 0.76
SCHEMBL2446216 0.71 PRKD1 (0.33) CYP1A2
SCHEMBL3619708 0.70 CYP1A2 (0.40) CYP1A2ALDH1A1CYP3A4HSD17B10CYP2C19
SCHEMBL6844987 0.69 CYP1A2 (0.41) CYP1A2ALDH1A1CYP3A4HSD17B10CYP2C19
SCHEMBL1009729 0.69 PDE10A (0.38) MEN1KMT2A
SCHEMBL10220627 0.69 CYP1A2 (0.36) CYP1A2ALDH1A1CYP3A4HSD17B10CYP2C19
SCHEMBL558311 0.68 FTO (0.50) CYP1A2ALDH1A1CYP3A4HSD17B10CYP2C19
SCHEMBL10272452 0.66 GAA (0.42) CYP1A2ALDH1A1CYP3A4HSD17B10CYP2C19
SCHEMBL17249989 0.66 CYP1A2 (0.40) CYP1A2ALDH1A1CYP3A4HSD17B10CYP2C19
SCHEMBL970387 0.64

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8178689-B2 Tricyclic compounds HOFFMAN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
WO-2011157682-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed
US-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 CYP1A2 1710/4885ALDH1A1 1129/4885CYP3A4 2098/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD CYP1A2 630/4885ALDH1A1 902/4885CYP3A4 576/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK CYP1A2 651/4885ALDH1A1 1059/4885CYP3A4 551/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 CYP1A2 70/4885ALDH1A1 545/4885CYP3A4 252/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.